3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine

C8H15N5 — CID 14547512

IUPAC3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NC2CCCCC2)n[nH]1
InChIInChI=1S/C8H15N5/c9-7-11-8(13-12-7)10-6-4-2-1-3-5-6/h6H,1-5H2,(H4,9,10,11,12,13)
InChIKeySXFVDYFLFNDXKC-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.13
Rot. Bonds2

About 3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine

3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine (PubChem CID 14547512) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine
PubChem CID14547512
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NC2CCCCC2)n[nH]1
InChIInChI=1S/C8H15N5/c9-7-11-8(13-12-7)10-6-4-2-1-3-5-6/h6H,1-5H2,(H4,9,10,11,12,13)
InChIKeySXFVDYFLFNDXKC-UHFFFAOYSA-N
XLogP1.13
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine (CID 14547512) is 3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine is Nc1nc(NC2CCCCC2)n[nH]1.
What is the InChIKey of 3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is SXFVDYFLFNDXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c9-7-11-8(13-12-7)10-6-4-2-1-3-5-6/h6H,1-5H2,(H4,9,10,11,12,13).
What are the key properties of 3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine?
3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 181.24 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 14547512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).